[gmx-users] energy minimization, freeze CA

[Berk Hess]

>From: "Michal Kolinski" <mkolin at iimcb.gov.pl>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: <gmx-users at gromacs.org>
>Subject: [gmx-users] energy minimization, freeze CA
>Date: Tue, 6 Dec 2005 12:59:30 +0100
>
>Hi all.
>
>I have quick question: is there a way to
>
>freeze protein backbone during energy minimization using new GROMACS 3.3 ?

Yes.
Use the backbone index group as a freeze group.
See the mdp options manual page.

Berk.